AG00FCKN

7147-14-0 | 3-CYANO-5-NITROINDOLE

AG00FCKN

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CAS Number	7147-14-0
Catalog Number	AG00FCKN(AGN-PC-0JOK0P)
Chemical Name	3-CYANO-5-NITROINDOLE
IUPAC Name	5-nitro-1H-indole-3-carbonitrile
InChI	InChI=1S/C9H5N3O2/c10-4-6-5-11-9-2-1-7(12(13)14)3-8(6)9/h1-3,5,11H
InChI Key	AKLPDARNWZLNPV-UHFFFAOYSA-N
MDL Number	MFCD02090219
Molecular Formula	C9H5N3O2
Molecular Weight	187.1549
NSC Number	62402
SMILES	N#CC1=CNC2=C1C=C([N+]([O-])=O)C=C2
Synonyms	5-nitro-1H-indole-3-carbonitrile, 7147-14-0, 3-Cyano-5-nitroindole, 5-Nitroindole-3-carbonitrile, NSC62402, AC1Q1YUU, AC1L6KI2, SCHEMBL3301497, CTK5D4230, DTXSID20289618, 5-nitro-1H-indol-3-carbonitrile, AKLPDARNWZLNPV-UHFFFAOYSA-N, 5-nitro-1H-indole-3-kohlenitrile, ZINC113131, KS-00000NL6, 1H-Indole-3-carbonitrile,5-nitro-, ANW-73869, MFCD02090219, NSC-62402, AKOS006278518, DS-2430, MP-0750, AJ-11402, AK-80376, CJ-00819, SC-37332, SY034358, ZB003781, AB0026390, ST2418836, TC-162614, 4CH-015551, AM20041068, FT-0692793, W8042, MFCD02090219 (95%), C50030, C9H5N3O2, AR-1G9079, CID247543, 7147-15-1, 91880-53-4,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.038g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.158g/mol
Monoisotopic Mass	187.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	85.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number